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benzene-1,3-dicarboxylic acid; hexanedioic acid; propane-1,2-diol

benzene-1,3-dicarboxylic acid; hexanedioic acid; propane-1,2-diol

Systemtic Name:benzene-1,3-dicarboxylic acid; hexanedioic acid; propane-1,2-diol
Openeye Name:adipic acid; isophthalic acid; propane-1,2-diol
CAS Name:benzene-1,3-dicarboxylic acid; hexanedioic acid; propane-1,2-diol
IUPAC Name:benzene-1,3-dicarboxylic acid; hexanedioic acid; propane-1,2-diol
Traditional Name:adipic acid; isophthalic acid; propane-1,2-diol
Formula: C17H24O10
MolecularWeight: 388.36646
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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)O.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCC(=O)O)CC(=O)O


Isomeric SMILES

CC(CO)O.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCC(=O)O)CC(=O)O


InChI

InChI=1S/C8H6O4.C6H10O4.C3H8O2/c9-7(10)5-2-1-3-6(4-5)8(11)12;7-5(8)3-1-2-4-6(9)10;1-3(5)2-4/h1-4H,(H,9,10)(H,11,12);1-4H2,(H,7,8)(H,9,10);3-5H,2H2,1H3


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